CID 3050155

Compound 756-267

Structural Information

Molecular Formula

C₂₀H₂₅N₃O₂

SMILES

COC(=O)C1=CC=CC=C1NCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-25-20(24)18-9-5-6-10-19(18)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10,21H,11-16H2,1H3

InChIKey

YHMQEQWYLZSQFX-UHFFFAOYSA-N

Compound name

methyl 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 339.19467 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	340.201946	182.7
[M+Na]+	362.183888	185.6
[M-H]-	338.187394	188.1
[M+NH4]+	357.228493	192.0
[M+K]+	378.157828	180.8
[M+H-H2O]+	322.191930	171.1
[M+HCOO]-	384.192871	199.9
[M+CH3COO]-	398.208521	213.0
[M+Na-2H]-	360.169336	185.0
[M]+	339.19412142	179.2
[M]-	339.19521858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe